3-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid

Systemtic Name: 3-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid Openeye Name: 3-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoic acid CAS Name: 3-[[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 3-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid Traditional Name: 3-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C18H18N2O4S/c1-9-5-6-12-13(7-9)25-17(14(12)15(19)21)20-16(22)10-3-2-4-11(8-10)18(23)24/h2-4,8-9H,5-7H2,1H3,(H2,19,21)(H,20,22)(H,23,24)